REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qa4_1_A DATA FIRST_RESID 2 DATA SEQUENCE GGKWSKSSVV GWPAVRERMR RAEPAADGVG AASRDLEKHG AITSSNTAAN DATA SEQUENCE NAACAW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.924 3.960 -0.060 0.000 0.244 2 G C 0.000 174.849 174.900 -0.085 0.000 0.946 2 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 3 G N 0.008 108.659 108.800 -0.248 0.000 2.753 3 G HA2 0.211 3.454 3.960 -1.194 0.000 0.295 3 G HA3 0.211 4.010 3.960 -0.268 0.000 0.295 3 G C -1.682 172.702 174.900 -0.860 0.000 1.437 3 G CA 0.516 45.198 45.100 -0.696 0.000 1.094 3 G HN -0.032 8.137 8.290 -0.202 0.000 0.540 4 K N 1.138 120.603 120.400 -1.559 0.000 2.761 4 K HA 0.156 4.186 4.320 -0.483 0.000 0.257 4 K C -0.752 175.290 176.600 -0.930 0.000 1.053 4 K CA -0.265 55.507 56.287 -0.858 0.000 1.035 4 K CB 0.258 32.450 32.500 -0.513 0.000 1.267 4 K HN 0.001 6.573 8.250 -2.796 0.000 0.505 5 W N 1.532 122.833 121.300 0.002 0.000 3.022 5 W HA 0.149 4.810 4.660 0.002 0.000 0.335 5 W C -0.357 176.164 176.519 0.003 0.000 1.133 5 W CA -0.878 56.469 57.345 0.002 0.000 1.219 5 W CB 1.495 30.956 29.460 0.002 0.000 1.409 5 W HN -0.186 7.996 8.180 0.004 0.000 0.507 6 S N 3.001 118.824 115.700 0.205 0.000 2.498 6 S HA 0.007 4.536 4.470 0.098 0.000 0.314 6 S C -0.078 174.592 174.600 0.117 0.000 1.141 6 S CA 0.176 58.449 58.200 0.121 0.000 1.087 6 S CB -0.025 63.223 63.200 0.080 0.000 1.178 6 S HN 0.195 8.631 8.310 0.210 0.000 0.533 7 K N 5.794 126.260 120.400 0.109 0.000 2.425 7 K HA 0.220 4.579 4.320 0.065 0.000 0.259 7 K C -1.386 175.247 176.600 0.056 0.000 0.978 7 K CA -0.127 56.207 56.287 0.078 0.000 0.883 7 K CB 0.955 33.505 32.500 0.084 0.000 1.110 7 K HN 0.033 8.351 8.250 0.114 0.000 0.436 8 S N 3.036 118.762 115.700 0.042 0.000 2.548 8 S HA 0.206 4.697 4.470 0.035 0.000 0.276 8 S C -1.035 173.582 174.600 0.028 0.000 1.129 8 S CA -0.138 58.083 58.200 0.034 0.000 0.931 8 S CB 0.729 63.949 63.200 0.033 0.000 1.068 8 S HN 0.286 8.620 8.310 0.040 0.000 0.480 9 S N 4.265 119.981 115.700 0.027 0.000 2.614 9 S HA 0.237 4.722 4.470 0.025 0.000 0.275 9 S C -1.383 173.235 174.600 0.031 0.000 1.161 9 S CA -0.055 58.161 58.200 0.026 0.000 0.969 9 S CB 1.522 64.735 63.200 0.021 0.000 1.059 9 S HN 0.046 8.373 8.310 0.028 0.000 0.482 10 V N 3.512 123.447 119.914 0.034 0.000 2.823 10 V HA 0.278 4.424 4.120 0.043 0.000 0.312 10 V C -0.982 175.146 176.094 0.058 0.000 1.072 10 V CA -0.311 62.014 62.300 0.043 0.000 0.937 10 V CB 1.094 32.939 31.823 0.038 0.000 1.013 10 V HN 0.022 8.231 8.190 0.032 0.000 0.430 11 V N 5.017 124.979 119.914 0.080 0.000 2.555 11 V HA 0.338 4.526 4.120 0.114 0.000 0.302 11 V C -0.373 175.817 176.094 0.162 0.000 1.038 11 V CA -0.330 62.047 62.300 0.130 0.000 0.887 11 V CB 1.194 33.113 31.823 0.160 0.000 0.991 11 V HN 0.147 8.382 8.190 0.074 0.000 0.434 12 G N 6.188 115.114 108.800 0.210 0.000 2.618 12 G HA2 0.276 4.301 3.960 0.108 0.000 0.280 12 G HA3 0.276 4.295 3.960 0.098 0.000 0.280 12 G C -1.620 173.438 174.900 0.264 0.000 1.458 12 G CA 0.514 45.714 45.100 0.168 0.000 1.224 12 G HN 0.024 8.442 8.290 0.214 0.000 0.576 13 W N 3.159 124.460 121.300 0.001 0.000 3.217 13 W HA 0.359 5.020 4.660 0.001 0.000 0.323 13 W C -2.501 174.019 176.519 0.001 0.000 1.216 13 W CA -2.958 54.387 57.345 0.001 0.000 1.194 13 W CB -0.598 28.863 29.460 0.001 0.000 1.397 13 W HN -0.277 7.854 8.180 -0.082 0.000 0.537 14 P HA 0.056 4.369 4.420 -0.178 0.000 0.276 14 P C -2.065 175.146 177.300 -0.148 0.000 1.230 14 P CA 0.277 63.326 63.100 -0.085 0.000 0.776 14 P CB 0.689 32.402 31.700 0.023 0.000 0.888 15 A N 2.250 124.891 122.820 -0.298 0.000 2.491 15 A HA 0.169 4.454 4.320 -0.059 0.000 0.293 15 A C -1.548 175.937 177.584 -0.166 0.000 1.047 15 A CA -0.148 51.733 52.037 -0.260 0.000 0.735 15 A CB 1.903 20.506 19.000 -0.662 0.000 1.281 15 A HN -0.149 7.829 8.150 -0.286 0.000 0.398 16 V N 0.595 120.469 119.914 -0.067 0.000 3.161 16 V HA 0.363 4.440 4.120 -0.071 0.000 0.221 16 V C -0.740 175.341 176.094 -0.021 0.000 1.296 16 V CA 0.274 62.545 62.300 -0.049 0.000 1.306 16 V CB 0.904 32.708 31.823 -0.031 0.000 1.171 16 V HN 0.198 8.375 8.190 -0.021 0.000 0.513 17 R N -0.194 120.309 120.500 0.004 0.000 3.112 17 R HA 0.254 4.607 4.340 0.021 0.000 0.271 17 R C -2.108 174.208 176.300 0.027 0.000 1.008 17 R CA -0.390 55.720 56.100 0.016 0.000 0.903 17 R CB 1.567 31.870 30.300 0.006 0.000 1.267 17 R HN -0.228 8.049 8.270 0.012 0.000 0.514 18 E N 1.384 121.603 120.200 0.031 0.000 2.354 18 E HA 0.227 4.593 4.350 0.027 0.000 0.283 18 E C -1.643 174.973 176.600 0.026 0.000 0.938 18 E CA -0.678 55.741 56.400 0.032 0.000 0.777 18 E CB 1.663 31.389 29.700 0.044 0.000 1.222 18 E HN 0.240 8.618 8.360 0.031 0.000 0.423 19 R N 3.576 124.088 120.500 0.020 0.000 2.547 19 R HA 0.241 4.591 4.340 0.017 0.000 0.280 19 R C -1.041 175.267 176.300 0.014 0.000 1.630 19 R CA -0.447 55.662 56.100 0.016 0.000 1.470 19 R CB 0.359 30.667 30.300 0.013 0.000 1.178 19 R HN 0.351 8.632 8.270 0.019 0.000 0.591 20 M N 3.686 123.295 119.600 0.015 0.000 2.157 20 M HA 0.133 4.620 4.480 0.011 0.000 0.354 20 M C -0.623 175.683 176.300 0.010 0.000 1.170 20 M CA -0.365 54.942 55.300 0.012 0.000 1.060 20 M CB 1.017 33.625 32.600 0.013 0.000 1.615 20 M HN 0.051 8.351 8.290 0.017 0.000 0.460 21 R N 2.642 123.147 120.500 0.008 0.000 2.508 21 R HA 0.308 4.652 4.340 0.006 0.000 0.283 21 R C -1.674 174.629 176.300 0.005 0.000 1.120 21 R CA -0.212 55.892 56.100 0.006 0.000 0.958 21 R CB 0.576 30.880 30.300 0.006 0.000 1.215 21 R HN 0.351 8.626 8.270 0.008 0.000 0.427 22 R N 3.837 124.339 120.500 0.004 0.000 2.929 22 R HA 0.094 4.552 4.340 0.003 -0.117 0.259 22 R C -0.726 175.576 176.300 0.003 0.000 1.141 22 R CA -1.029 55.073 56.100 0.003 0.000 0.991 22 R CB 1.410 31.712 30.300 0.003 0.000 1.287 22 R HN -0.095 8.177 8.270 0.004 0.000 0.450 23 A N 0.025 122.846 122.820 0.002 0.000 2.734 23 A HA -0.080 4.241 4.320 0.001 0.000 0.296 23 A C -0.750 176.835 177.584 0.002 0.000 1.474 23 A CA 0.640 52.678 52.037 0.001 0.000 0.735 23 A CB -1.396 17.605 19.000 0.001 0.000 1.062 23 A HN -0.152 8.000 8.150 0.002 0.000 0.463 24 E N 0.587 120.788 120.200 0.002 0.000 2.197 24 E HA 0.210 4.561 4.350 0.002 0.000 0.281 24 E C -1.662 174.939 176.600 0.001 0.000 0.995 24 E CA -2.627 53.774 56.400 0.002 0.000 0.808 24 E CB 0.517 30.218 29.700 0.002 0.000 1.093 24 E HN -0.085 8.276 8.360 0.002 0.000 0.394 25 P HA 0.063 4.483 4.420 0.001 0.000 0.275 25 P C -1.203 176.097 177.300 0.001 0.000 1.276 25 P CA -0.201 62.899 63.100 0.001 0.000 0.782 25 P CB -0.059 31.642 31.700 0.001 0.000 0.851 26 A N 4.498 127.319 122.820 0.000 0.000 2.363 26 A HA 0.088 4.409 4.320 0.001 0.000 0.270 26 A C -0.527 177.057 177.584 0.000 0.000 1.121 26 A CA -0.262 51.775 52.037 0.000 0.000 0.800 26 A CB 0.796 19.796 19.000 0.000 0.000 1.052 26 A HN 0.174 8.324 8.150 0.000 0.000 0.493 27 A N 2.644 125.464 122.820 -0.000 0.000 2.289 27 A HA 0.208 4.527 4.320 -0.000 0.000 0.298 27 A C -0.393 177.190 177.584 -0.001 0.000 1.208 27 A CA -0.471 51.566 52.037 -0.000 0.000 0.845 27 A CB 0.475 19.475 19.000 -0.000 0.000 1.125 27 A HN 0.210 8.360 8.150 0.000 0.000 0.517 28 D N 2.381 122.780 120.400 -0.001 0.000 2.440 28 D HA 0.152 4.791 4.640 -0.002 0.000 0.258 28 D C 1.565 177.864 176.300 -0.002 0.000 1.092 28 D CA -0.509 53.490 54.000 -0.002 0.000 1.016 28 D CB 2.083 42.882 40.800 -0.002 0.000 1.141 28 D HN 0.182 8.551 8.370 -0.001 0.000 0.552 29 G N 1.330 110.128 108.800 -0.003 0.000 4.045 29 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.261 29 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.261 29 G C -1.239 173.658 174.900 -0.004 0.000 1.772 29 G CA 0.045 45.143 45.100 -0.003 0.000 1.264 29 G HN 0.238 8.527 8.290 -0.003 0.000 0.609 30 V N -0.426 119.486 119.914 -0.004 0.000 2.509 30 V HA 0.285 4.402 4.120 -0.005 0.000 0.289 30 V C -0.386 175.707 176.094 -0.003 0.000 1.026 30 V CA -0.276 62.022 62.300 -0.004 0.000 0.872 30 V CB 0.473 32.293 31.823 -0.006 0.000 1.017 30 V HN -0.129 8.059 8.190 -0.003 0.000 0.436 31 G N 5.903 114.701 108.800 -0.002 0.000 4.956 31 G HA2 0.157 4.116 3.960 -0.001 0.000 0.290 31 G HA3 0.157 4.117 3.960 -0.001 0.000 0.290 31 G C -0.871 174.028 174.900 -0.001 0.000 1.352 31 G CA 0.054 45.153 45.100 -0.001 0.000 0.983 31 G HN 0.102 8.390 8.290 -0.003 0.000 0.581 32 A N 0.036 122.855 122.820 -0.001 0.000 2.549 32 A HA 0.230 4.550 4.320 0.001 0.000 0.297 32 A C -0.670 176.915 177.584 0.001 0.000 1.061 32 A CA -0.087 51.950 52.037 0.000 0.000 0.690 32 A CB 1.259 20.259 19.000 -0.000 0.000 1.287 32 A HN -0.314 7.835 8.150 -0.002 0.000 0.402 33 A N 0.924 123.746 122.820 0.003 0.000 2.440 33 A HA 0.217 4.539 4.320 0.003 0.000 0.251 33 A C 0.671 178.259 177.584 0.006 0.000 1.089 33 A CA -0.332 51.707 52.037 0.004 0.000 0.779 33 A CB 0.499 19.502 19.000 0.006 0.000 1.022 33 A HN 0.070 8.222 8.150 0.003 0.000 0.492 34 S N 2.987 118.691 115.700 0.006 0.000 3.829 34 S HA -0.077 4.395 4.470 0.003 0.000 0.250 34 S C 0.656 175.267 174.600 0.018 0.000 1.263 34 S CA 0.106 58.311 58.200 0.008 0.000 0.955 34 S CB -0.432 62.772 63.200 0.005 0.000 1.611 34 S HN 0.471 8.784 8.310 0.005 0.000 0.483 35 R N 4.610 125.123 120.500 0.022 0.000 2.055 35 R HA -0.240 4.116 4.340 0.027 0.000 0.228 35 R C 1.511 177.845 176.300 0.056 0.000 1.143 35 R CA 2.351 58.469 56.100 0.031 0.000 0.945 35 R CB -0.017 30.299 30.300 0.027 0.000 0.841 35 R HN -0.135 8.109 8.270 0.016 0.035 0.429 36 D N -0.239 120.206 120.400 0.075 0.000 2.149 36 D HA -0.222 4.535 4.640 0.195 0.000 0.198 36 D C 2.053 178.476 176.300 0.204 0.000 0.990 36 D CA 3.611 57.715 54.000 0.174 0.000 0.839 36 D CB -0.515 40.370 40.800 0.141 0.000 0.948 36 D HN 0.304 8.704 8.370 0.050 0.000 0.460 37 L N -1.342 119.929 121.223 0.080 0.000 2.081 37 L HA -0.333 4.040 4.340 0.054 0.000 0.212 37 L C 1.371 178.292 176.870 0.084 0.000 1.080 37 L CA 3.176 58.053 54.840 0.062 0.000 0.754 37 L CB -0.898 41.174 42.059 0.021 0.000 0.893 37 L HN 0.119 8.360 8.230 0.042 0.015 0.433 38 E N -1.083 119.158 120.200 0.067 0.000 2.047 38 E HA -0.359 4.014 4.350 0.038 0.000 0.191 38 E C 2.227 178.855 176.600 0.047 0.000 0.987 38 E CA 3.173 59.601 56.400 0.047 0.000 0.799 38 E CB -0.613 29.106 29.700 0.031 0.000 0.752 38 E HN -0.507 7.775 8.360 0.062 0.115 0.449 39 K N -0.858 119.576 120.400 0.056 0.000 2.057 39 K HA -0.230 4.078 4.320 -0.019 0.000 0.206 39 K C 2.209 178.784 176.600 -0.042 0.000 1.050 39 K CA 2.528 58.812 56.287 -0.006 0.000 0.935 39 K CB -0.220 32.258 32.500 -0.036 0.000 0.715 39 K HN -0.782 7.446 8.250 0.081 0.071 0.439 40 H N -3.630 115.440 119.070 0.000 0.000 2.395 40 H HA -0.051 4.505 4.556 0.000 0.000 0.299 40 H C 2.477 177.805 175.328 0.000 0.000 1.070 40 H CA 3.002 59.050 56.048 0.000 0.000 1.356 40 H CB 0.771 30.533 29.762 0.000 0.000 1.401 40 H HN 0.330 8.661 8.280 0.272 0.112 0.524 41 G N -2.098 106.776 108.800 0.123 0.000 2.403 41 G HA2 -0.154 3.844 3.960 0.065 0.000 0.216 41 G HA3 -0.154 3.898 3.960 0.055 -0.059 0.216 41 G C -0.260 174.661 174.900 0.036 0.000 1.154 41 G CA 0.713 45.853 45.100 0.065 0.000 0.784 41 G HN 0.112 8.367 8.290 0.139 0.118 0.538 42 A N -1.060 121.775 122.820 0.025 0.000 2.797 42 A HA 0.138 4.464 4.320 0.010 0.000 0.287 42 A C -1.228 176.353 177.584 -0.004 0.000 1.369 42 A CA -0.206 51.836 52.037 0.009 0.000 0.968 42 A CB -0.580 18.424 19.000 0.006 0.000 1.069 42 A HN -0.264 7.803 8.150 0.032 0.102 0.571 43 I N -2.618 117.948 120.570 -0.005 0.000 4.197 43 I HA 0.204 4.359 4.170 -0.024 0.000 0.307 43 I C -0.448 175.663 176.117 -0.010 0.000 1.236 43 I CA 0.747 62.035 61.300 -0.020 0.000 1.321 43 I CB 2.077 40.047 38.000 -0.050 0.000 1.309 43 I HN -0.416 7.707 8.210 0.008 0.091 0.450 44 T N -1.450 113.106 114.554 0.002 0.000 2.930 44 T HA 0.377 4.727 4.350 0.000 0.000 0.290 44 T C -0.546 174.158 174.700 0.008 0.000 1.052 44 T CA -1.305 60.798 62.100 0.005 0.000 1.017 44 T CB 2.716 71.590 68.868 0.010 0.000 1.137 44 T HN -0.528 7.717 8.240 0.009 0.000 0.511 45 S N -0.281 115.423 115.700 0.006 0.000 2.620 45 S HA 0.050 4.524 4.470 0.007 0.000 0.234 45 S C 1.015 175.619 174.600 0.007 0.000 1.064 45 S CA 1.111 59.314 58.200 0.006 0.000 0.920 45 S CB 0.452 63.654 63.200 0.003 0.000 0.826 45 S HN 0.110 8.422 8.310 0.005 0.000 0.557 46 S N 1.382 117.086 115.700 0.007 0.000 2.426 46 S HA 0.107 4.581 4.470 0.007 0.000 0.236 46 S C -1.487 173.118 174.600 0.009 0.000 1.368 46 S CA -0.534 57.670 58.200 0.007 0.000 1.154 46 S CB -0.048 63.155 63.200 0.005 0.000 1.037 46 S HN -0.204 8.109 8.310 0.005 0.000 0.481 47 N N 4.560 123.267 118.700 0.012 0.000 2.419 47 N HA 0.119 4.867 4.740 0.014 0.000 0.277 47 N C -0.719 174.799 175.510 0.012 0.000 1.006 47 N CA 0.068 53.127 53.050 0.014 0.000 0.923 47 N CB 0.839 39.339 38.487 0.021 0.000 1.140 47 N HN 0.137 8.524 8.380 0.012 0.000 0.488 48 T N 1.739 116.300 114.554 0.011 0.000 3.886 48 T HA -0.375 3.980 4.350 0.009 0.000 0.371 48 T C -1.391 173.314 174.700 0.008 0.000 0.760 48 T CA 0.275 62.380 62.100 0.009 0.000 1.966 48 T CB -1.210 67.664 68.868 0.009 0.000 1.793 48 T HN 0.339 8.586 8.240 0.012 0.000 0.798 49 A N 1.105 123.929 122.820 0.007 0.000 2.306 49 A HA 0.252 4.576 4.320 0.007 0.000 0.314 49 A C -0.817 176.771 177.584 0.007 0.000 1.164 49 A CA -0.406 51.635 52.037 0.007 0.000 0.822 49 A CB 1.162 20.166 19.000 0.006 0.000 1.130 49 A HN -0.155 8.000 8.150 0.008 0.000 0.496 50 A N 2.058 124.882 122.820 0.007 0.000 2.351 50 A HA 0.107 4.431 4.320 0.007 0.000 0.257 50 A C -0.495 177.094 177.584 0.008 0.000 1.087 50 A CA -0.366 51.676 52.037 0.007 0.000 0.798 50 A CB 0.629 19.633 19.000 0.007 0.000 1.033 50 A HN 0.177 8.330 8.150 0.006 0.000 0.488 51 N N -0.169 118.536 118.700 0.009 0.000 3.192 51 N HA -0.327 4.420 4.740 0.011 0.000 0.195 51 N C -1.775 173.739 175.510 0.007 0.000 0.856 51 N CA 0.628 53.684 53.050 0.009 0.000 0.926 51 N CB -0.500 37.993 38.487 0.011 0.000 0.778 51 N HN 0.087 8.472 8.380 0.009 0.000 0.685 52 N N -0.175 118.529 118.700 0.006 0.000 2.647 52 N HA 0.023 4.765 4.740 0.003 0.000 0.266 52 N C -1.576 173.935 175.510 0.001 0.000 1.373 52 N CA -0.922 52.129 53.050 0.003 0.000 0.807 52 N CB 2.178 40.666 38.487 0.001 0.000 1.513 52 N HN 0.035 8.420 8.380 0.008 0.000 0.505 53 A N 0.407 123.226 122.820 -0.002 0.000 2.462 53 A HA 0.069 4.388 4.320 -0.002 0.000 0.243 53 A C -0.253 177.326 177.584 -0.008 0.000 1.076 53 A CA 0.491 52.526 52.037 -0.004 0.000 0.773 53 A CB 0.205 19.202 19.000 -0.005 0.000 1.010 53 A HN 0.132 8.280 8.150 -0.002 0.000 0.493 54 A N 1.120 123.935 122.820 -0.008 0.000 2.438 54 A HA -0.151 4.162 4.320 -0.013 0.000 0.686 54 A C -1.797 175.778 177.584 -0.014 0.000 0.140 54 A CA -0.033 51.995 52.037 -0.015 0.000 0.026 54 A CB -0.194 18.791 19.000 -0.025 0.000 3.973 54 A HN 0.055 8.202 8.150 -0.005 0.000 0.548 55 C N -0.139 119.150 119.300 -0.019 0.000 2.994 55 C HA 0.281 4.734 4.460 -0.012 0.000 0.305 55 C C -0.864 174.097 174.990 -0.048 0.000 1.251 55 C CA -1.501 57.510 59.018 -0.012 0.000 1.478 55 C CB 1.669 29.421 27.740 0.021 0.000 1.922 55 C HN -0.218 7.998 8.230 -0.022 0.000 0.472 56 A N 1.915 124.691 122.820 -0.072 0.000 2.316 56 A HA 0.282 4.418 4.320 -0.307 0.000 0.284 56 A C -0.901 176.620 177.584 -0.105 0.000 1.115 56 A CA -0.135 51.744 52.037 -0.263 0.000 0.812 56 A CB 0.111 18.841 19.000 -0.449 0.000 1.064 56 A HN 0.225 8.362 8.150 -0.021 0.000 0.489 57 W N 0.000 121.300 121.300 0.000 0.000 2.388 57 W HA 0.000 4.660 4.660 0.000 0.000 0.303 57 W CA 0.000 57.345 57.345 0.000 0.000 1.226 57 W CB 0.000 29.460 29.460 0.000 0.000 1.126 57 W HN 0.000 7.849 8.180 -0.552 0.000 0.535